pyrosetta.toolbox.cleaning Namespace Reference

Functions
def	cleanATOM
def	cleanCRYS

Function Documentation

def pyrosetta.toolbox.cleaning.cleanATOM	(		pdb_file,
			out_file = None,
			ext = ".clean.pdb"
	)

Extract all ATOM and TER records in a PDB file and write them to a new file.

Args:
    pdb_file (str): Path of the PDB file from which ATOM and TER records
        will be extracted
    out_file (str): Optional argument to specify a particular output filename.
        Defaults to <pdb_file>.clean.pdb.
    ext (str): File extension to use for output file. Defaults to ".clean.pdb"

References basic::database.open().

Referenced by pyrosetta.toolbox.rcsb.pose_from_rcsb().

def pyrosetta.toolbox.cleaning.cleanCRYS	(		pdb_file,
			olig = 2,
			out_file = None
	)

Extract a monomer from an oligomeric PDB file and write it to a new file.

Notes:
    This is a simple sequence comparison.

Args:
    pdb_file (str): Path of the PDB file from which ATOM and TER records
        will be extracted.
    olig (int): Number of subunits in the input complex.
    out_file (str): Optional argument to specify a particular output filename.
        Defaults to <pdb_file>.mono.pdb.

References ObjexxFCL.len(), pyrosetta.distributed.io.pose_from_file, basic::options::OptionKeys::relax::range.range, and round().

Referenced by pyrosetta.toolbox.rcsb.pose_from_rcsb().